Vitas-M small molecule compound

2-{[4-(4-methoxyphenyl)-5-oxo-7-(propan-2-yl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-phenylpropanamide

Catalog ID
STK540294
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CC(OCc1s2)C(C)C)SC(C(=O)Nc1ccccc1)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 C29H29N5O4S2 MW 575.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O4S2/c1-16(2)22-14-21-23(15-38-22)40-27-24(21)26(36)33(19-10-12-20(37-4)13-11-19)28-31-32-29(34(27)28)39-17(3)25(35)30-18-8-6-5-7-9-18/h5-13,16-17,22H,14-15H2,1-4H3,(H,30,35)
InChIKey
HHBNTGZDWUHRPS-UHFFFAOYSA-N
Synonyms

2((4(4methoxyphenyl)5oxo7(propan2yl)4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)Nphenylpropanamide
2((7isopropyl4(4methoxyphenyl)5oxo5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)Nphenylpropanamide
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SC(C)C(=O)NC5=CC=CC=C5)C6=CC=C(C=C6)OC
InChI=1SC29H29N5O4S2c116(2)22142123(153822)402724(21)26(36)33(19101220(374)131119)28313229(34(27)28)3917(3)25(35)30188657918h513161722H1415H214H3(H3035)
MFCD03284061
ZINC000001812019
ZINC000001812022

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Available files

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