Vitas-M small molecule compound

(2S)-3-methyl-2-{[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino}pentyl thiophene-2-carboxylate

Catalog ID
STK610345
SMILES CC[C@H]([C@H](NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2)COC(=O)c1cccs1)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C29H31NO6S MW 521.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO6S/c1-4-16(2)22(15-34-29(33)26-10-7-11-37-26)30-27(31)13-20-17(3)19-12-21-18-8-5-6-9-23(18)35-25(21)14-24(19)36-28(20)32/h7,10-12,14,16,22H,4-6,8-9,13,15H2,1-3H3,(H,30,31)/t16-,22-/m1/s1
InChIKey
YLIIQFSNPTUEJR-OPAMFIHVSA-N
Synonyms
1013754-13-6
((2S3R)3methyl2((2(4methyl2oxo6789tetrahydro(1)benzofuro(32g)chromen3yl)acetyl)amino)pentyl)thiophene2carboxylate
(2S)3methyl2(((4methyl2oxo6789tetrahydro2H(1)benzofuro(32g)chromen3yl)acetyl)amino)pentylthiophene2carboxylate
(2S3R)3methyl2(2(4methyl2oxo6789tetrahydro2Hbenzofuro(32g)chromen3yl)acetamido)pentylthiophene2carboxylate
1013754136
CC(C@H)((C@H)(NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2)COC(=O)c1cccs1)C
CCC(C)C(COC(=O)C1=CC=CS1)NC(=O)CC2=C(C3=C(C=C4C(=C3)C5=C(O4)CCCC5)OC2=O)C
InChI=1SC29H31NO6Sc1416(2)22(153429(33)26107113726)3027(31)132017(3)19122118856923(18)3525(21)1424(19)3628(20)32h71012141622H46891315H213H3(H3031)t1622m1s1
MFCD18246260
ZINC000013608301
ZINC13608301

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Available files

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