Vitas-M small molecule compound
6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]hexanamide
Catalog ID
STL544261
SMILES COCc1n[nH]/c(=N\C(=O)CCCCCNc2ccc3c(cc2=O)[C@H](CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)/s1
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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 C31H39N5O7S MW 625.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39N5O7S/c1-18(37)33-22-12-10-19-15-25(41-3)29(42-4)30(43-5)28(19)20-11-13-23(24(38)16-21(20)22)32-14-8-6-7-9-26(39)34-31-36-35-27(44-31)17-40-2/h11,13,15-16,22H,6-10,12,14,17H2,1-5H3,(H,32,38)(H,33,37)(H,34,36,39)/t22-/m0/s1InChIKey
VGTJRMVBXLXYLE-QFIPXVFZSA-NSynonyms
1574393-08-01574393080
6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5(methoxymethyl)134thiadiazol2yl)hexanamide
6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((2E)5(methoxymethyl)134thiadiazol2(3H)ylidene)hexanamide
75491615
InChI=1SC31H39N5O7Sc118(37)33221210191525(413)29(424)30(435)28(19)20111323(24(38)1621(20)22)3214867926(39)3431363527(4431)17402h1113151622H610121417H215H3(H3238)(H3337)(H343639)t22m0s1
ZINC000108449105
ZINC108449105
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