Vitas-M small molecule compound
4-{[(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]butanamide
Catalog ID
STL545117
SMILES COCc1n[nH]/c(=N\C(=O)CCCNc2ccc3c(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 C29H35N5O7S MW 597.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N5O7S/c1-16(35)31-20-10-8-17-13-23(39-3)27(40-4)28(41-5)26(17)18-9-11-21(22(36)14-19(18)20)30-12-6-7-24(37)32-29-34-33-25(42-29)15-38-2/h9,11,13-14,20H,6-8,10,12,15H2,1-5H3,(H,30,36)(H,31,35)(H,32,34,37)/t20-/m0/s1InChIKey
AIRCRPZBTIMBSA-FQEVSTJZSA-NSynonyms
1574379-88-61574379886
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5(methoxymethyl)134thiadiazol2yl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((2E)5(methoxymethyl)134thiadiazol2(3H)ylidene)butanamide
75491010
InChI=1SC29H35N5O7Sc116(35)3120108171323(393)27(404)28(415)26(17)1891121(22(36)1419(18)20)30126724(37)3229343325(4229)15382h911131420H68101215H215H3(H3036)(H3135)(H323437)t20m0s1
ZINC000108447453
ZINC108447453
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